UCSF

ZINC36991747

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2009 20 Yes

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.69 10.71 -102.92 3 2 2 21 341.337 4
Hi High (pH 8-9.5) 3.69 9.98 -32.58 2 2 1 16 340.329 4
Hi High (pH 8-9.5) 3.69 8.75 -39.06 2 2 1 20 340.329 4

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )